SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011970530.1 NCBI__GCF_000017145.1:WP_011970530.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q9X5C9 Quinate/shikimate dehydrogenase (NAD(+)); QSDH; EC 1.1.1.-; EC 1.1.1.24 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / BCRC 11384 / CCUG 27702 / LMG 3730 / NBRC 12168 / NCIMB 10025 / NRRL B-2784 / 534) (see paper)
45% identity, 92% coverage: 8:281/299 of query aligns to 4:280/283 of Q9X5C9

query
sites
Q9X5C9

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S17 (= S21) binding shikimate
SRT 17:19 (≠ SLT 21:23) binding L-quinate
T69 (= T73) binding L-quinate; binding shikimate
K73 (= K77) active site, Proton acceptor; binding L-quinate; binding shikimate
N94 (= N98) binding L-quinate; binding shikimate
D110 (= D113) binding L-quinate; binding shikimate
GV 137:138 (≠ GA 140:141) binding NAD(+)
D158 (= D161) binding NAD(+)
R163 (= R166) binding NAD(+)
PMGM 203:206 (≠ PTGM 204:207) binding NAD(+)
A213 (≠ P214) binding NAD(+)
V228 (= V229) binding NAD(+)
G251 (= G252) binding NAD(+)
Q258 (= Q259) binding L-quinate; binding shikimate

3jyqA Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and nadh (see paper)
45% identity, 92% coverage: 8:281/299 of query aligns to 3:279/282 of 3jyqA

query
sites
3jyqA

S

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binding nicotinamide-adenine-dinucleotide: V132 (≠ L136), G135 (= G139), G136 (= G140), V137 (≠ A141), D157 (= D161), L158 (≠ Q162), R162 (= R166), T201 (= T203), P202 (= P204), M205 (= M207), V227 (= V229), A254 (= A256)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S21), N66 (= N71), T68 (= T73), N93 (= N98), D109 (= D113), Q257 (= Q259)

3jypA Quinate dehydrogenase from corynebacterium glutamicum in complex with quinate and nadh (see paper)
45% identity, 92% coverage: 8:281/299 of query aligns to 3:279/282 of 3jypA

query
sites
3jypA

S

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binding nicotinamide-adenine-dinucleotide: V132 (≠ L136), G135 (= G139), V137 (≠ A141), D157 (= D161), L158 (≠ Q162), R162 (= R166), T201 (= T203), P202 (= P204), M205 (= M207), A212 (≠ P214), V227 (= V229), Y229 (= Y231), A254 (= A256)
binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S16 (= S21), T18 (= T23), N66 (= N71), T68 (= T73), K72 (= K77), N93 (= N98), D109 (= D113), Q257 (= Q259)

3jyoA Quinate dehydrogenase from corynebacterium glutamicum in complex with NAD (see paper)
45% identity, 92% coverage: 8:281/299 of query aligns to 3:279/282 of 3jyoA

query
sites
3jyoA

S

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F

binding nicotinamide-adenine-dinucleotide: V132 (≠ L136), G135 (= G139), V137 (≠ A141), D157 (= D161), L158 (≠ Q162), R162 (= R166), T201 (= T203), P202 (= P204), M205 (= M207), V227 (= V229), Y229 (= Y231), A254 (= A256)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 89% coverage: 12:277/299 of query aligns to 15:277/287 of 1nvtB

query
sites
1nvtB

G

G

L

L

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H

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Y

Y

D

V

L

A

F

F

D

D

L

V

D

-

G

-

V

-

G

-

S

L

S

P

E

E

P

N

L

L

T

K

N

Y

L

V

L

I

A

D

E

G

A

A

E

K

G

A

R

L

G

G

L

I

G

V

G

G

L

F

N

N

I

V

T

T

H
x
I

P

P

F

H

K
|
K

Q

I

Q

E

V

I

I

M

E

K

F

Y

L

L

D

D

T

E

L

I

S

D

D

K

E

D

A

A

V

Q

A

L

L

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

L

I

R

E

G

D

G

G

R

K

R

A

H

I

G

G

H

Y

N

N

T

T

D
|
D

W

G

W

I

G

G

F

A

A

R

E

M

S

A

F

L

R

E

G

E

L

I

P

G

R

R

A

V

D

K

L

D

T

K

S

N

V

I

V

V

Q

I

L

Y

G
|
G

A

A

G
|
G

A
|
A

G

A

A

R

A

A

T

V

A

A

F

F

A

E

I

L

L

A

R

K

S

D

G

N

A

N

A

I

G

I

L

I

T

A

I
x
N

F
x
R

D
x
T

Q

V

D

E

E
x
K

S

A

R

E

S

A

L

L

A

A

-

K

-

E

L

I

V

A

E

E

N

K

M

L

Q

N

R

K

H

K

F

F

P

G

N

E

A

E

F

V

I

K

K

F

A

S

G

G

A

L

D

D

L

V

S

D

G

-

A

-

M

L

A

D

T

G

A

V

S

D

G

I

L

I

I

I

H

N

A
|
A

T
|
T

P
|
P

T
x
I

G

G

M
|
M

A

-

K

-

Y

Y

P

P

G

N

L

I

P

D

-

V

-

E

-

P

-

I

V

V

P

K

A

A

D

E

L

K

L

L

R

R

F

E

S

D

L

M

W

V

V

V

A

M

E

D

V
x
L

V

I

Y
|
Y

F

N

P

P

L

L

S

E

T

T

E

V

L

L

V

L

I

K

E

E

A

A

G

K

R

K

R

V

G

N

C

A

R

K

T

T

L

I

N

N

G

G

G

L

G

G

M
|
M

A
x
L

V

I

F

Y

Q

Q

A

G

V

A

K

V

A

A

F

F

R

K

L

I

F

W

T

T

G

G

V

V

E

E

P

P

N

N

A

I

E

E

R

V

M

M

active site: K75 (= K77), D111 (= D113)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ H74), G135 (= G137), G137 (= G139), G138 (= G140), A139 (= A141), N157 (≠ I159), R158 (≠ F160), T159 (≠ D161), K162 (≠ E164), A200 (= A202), T201 (= T203), P202 (= P204), I203 (≠ T205), M205 (= M207), L229 (≠ V229), Y231 (= Y231), M255 (= M255), L256 (≠ A256)
binding zinc ion: E22 (≠ Q19), H23 (≠ A20)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 89% coverage: 12:277/299 of query aligns to 15:277/287 of 1nvtA

query
sites
1nvtA

G

G

L

L

I

I

G

G

K

H

G

P

I

V

Q

E

A

H

S

S

L

F

T

S

P

P

A

I

L

M

H

H

M

N

A

A

E

A

G

F

R

K

A

D

Q

K

G

G

F

L

E

N

Y

Y

F

V

Y

Y

D

V

L

A

F

F

D

D

L

V

D

-

G

-

V

-

G

-

S

L

S

P

E

E

P

N

L

L

T

K

N

Y

L

V

L

I

A

D

E

G

A

A

E

K

G

A

R

L

G

G

L

I

G

V

G

G

L

F

N

N

I

V

T

T

H

I

P

P

F

H

K
|
K

Q

I

Q

E

V

I

I

M

E

K

F

Y

L

L

D

D

T

E

L

I

S

D

D

K

E

D

A

A

V

Q

A

L

L

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

L

I

R

E

G

D

G

G

R

K

R

A

H

I

G

G

H

Y

N

N

T

T

D
|
D

W

G

W

I

G

G

F

A

A

R

E

M

S

A

F

L

R

E

G

E

L

I

P

G

R

R

A

V

D

K

L

D

T

K

S

N

V

I

V

V

Q

I

L

Y

G
|
G

A

A

G

G

A
|
A

G

A

A

R

A

A

T

V

A

A

F

F

A

E

I

L

L

A

R

K

S

D

G

N

A

N

A

I

G

I

L

I

T

A

I
x
N

F
x
R

D
x
T

Q

V

D

E

E
x
K

S

A

R

E

S

A

L

L

A

A

-

K

-

E

L

I

V

A

E

E

N

K

M

L

Q

N

R

K

H

K

F

F

P

G

N

E

A

E

F

V

I

K

K

F

A

S

G

G

A

L

D

D

L

V

S

D

G

-

A

-

M

L

A

D

T

G

A

V

S

D

G

I

L

I

I

I

H

N

A
|
A

T
|
T

P
|
P

T
x
I

G

G

M
|
M

A

-

K

-

Y

Y

P

P

G

N

L

I

P

D

-

V

-

E

-

P

-

I

V

V

P

K

A

A

D

E

L

K

L

L

R

R

F

E

S

D

L

M

W

V

V

V

A

M

E

D

V
x
L

V

I

Y
|
Y

F

N

P

P

L

L

S

E

T

T

E

V

L

L

V

L

I

K

E

E

A

A

G

K

R

K

R

V

G

N

C

A

R

K

T

T

L

I

N

N

G
|
G

G

L

G

G

M
|
M

A
x
L

V

I

F

Y

Q

Q

A

G

V

A

K

V

A

A

F

F

R

K

L

I

F

W

T

T

G

G

V

V

E

E

P

P

N

N

A

I

E

E

R

V

M

M

active site: K75 (= K77), D111 (= D113)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G137), A139 (= A141), N157 (≠ I159), R158 (≠ F160), T159 (≠ D161), K162 (≠ E164), A200 (= A202), T201 (= T203), P202 (= P204), I203 (≠ T205), M205 (= M207), L229 (≠ V229), Y231 (= Y231), G252 (= G252), M255 (= M255), L256 (≠ A256)

Q58484 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
33% identity, 89% coverage: 12:277/299 of query aligns to 10:272/282 of Q58484

query
sites
Q58484

G

G

L

L

I

I

G

G

K

H

G

P

I

V

Q

E

A

H

S

S

L

F

T

S

P

P

A

I

L

M

H

H

M

N

A

A

E

A

G

F

R

K

A

D

Q

K

G

G

F

L

E

N

Y

Y

F

V

Y

Y

D

V

L

A

F

F

D

D

L

V

D

-

G

-

V

-

G

-

S

L

S

P

E

E

P

N

L

L

T

K

N

Y

L

V

L

I

A

D

E

G

A

A

E

K

G

A

R

L

G

G

L

I

G

V

G

G

L

F

N

N

I

V

T

T

H

I

P

P

F

H

K

K

Q

I

Q

E

V

I

I

M

E

K

F

Y

L

L

D

D

T

E

L

I

S

D

D

K

E

D

A

A

V

Q

A

L

L

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

L

I

R

E

G

D

G

G

R

K

R

A

H

I

G

G

H

Y

N

N

T

T

D

D

W

G

W

I

G

G

F

A

A

R

E

M

S

A

F

L

R

E

G

E

L

I

P

G

R

R

A

V

D

K

L

D

T

K

S

N

V

I

V

V

Q

I

L

Y

G
|
G

A
|
A

G
|
G

A
|
A

G

A

A

R

A

A

T

V

A

A

F

F

A

E

I

L

L

A

R

K

S

D

G

N

A

N

A

I

G

I

L

I

T

A

I
x
N

F
x
R

D
x
T

Q
x
V

D
x
E

E
x
K

S

A

R

E

S

A

L

L

A

A

-

K

-

E

L

I

V

A

E

E

N

K

M

L

Q

N

R

K

H

K

F

F

P

G

N

E

A

E

F

V

I

K

K

F

A

S

G

G

A

L

D

D

L

V

S

D

G

-

A

-

M

L

A

D

T

G

A

V

S

D

G

I

L

I

I

I

H

N

A

A

T
|
T

P

P

T

I

G

G

M
|
M

A

-

K

-

Y

Y

P

P

G

N

L

I

P

D

-

V

-

E

-

P

-

I

V

V

P

K

A

A

D

E

L

K

L

L

R

R

F

E

S

D

L

M

W

V

V

V

A

M

E

D

V
x
L

V

I

Y

Y

F

N

P

P

L

L

S

E

T

T

E

V

L

L

V

L

I

K

E

E

A

A

G

K

R

K

R

V

G

N

C

A

R

K

T

T

L

I

N

N

G

G

G

L

G

G

M

M

A

L

V

I

F

Y

Q

Q

A

G

V

A

K

V

A

A

F

F

R

K

L

I

F

W

T

T

G

G

V

V

E

E

P

P

N

N

A

I

E

E

R

V

M

M

GAGGA 130:134 (= GAGGA 137:141) binding NADP(+)
NRTVEK 152:157 (≠ IFDQDE 159:164) binding NADP(+)
T196 (= T203) binding NADP(+)
M200 (= M207) binding NADP(+)
L224 (≠ V229) binding NADP(+)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
28% identity, 87% coverage: 12:271/299 of query aligns to 10:254/267 of 2hk9B

query
sites
2hk9B

G

G

L

V

I

I

G

G

K

F

G

P

I

V

Q

K

A

H

S
|
S

L

L

T
x
S

P

P

A

V

L

F

H

Q

M

N

A

A

E

L

G

I

R

R

A

Y

Q

A

G

G

F

L

E

N

Y

A

F

V

Y

Y

D

L

L

A

F

F

D

E

L

I

D

N

G

-

V

-

G

-

S

-

S

P

E

E

P

E

L

L

T

K

N

K

L

A

L

F

A

E

E

G

A

F

E

K

G

A

R

L

G

K

L

V

G

K

G

G

L

I

N
|
N

I

V

T
|
T

H
x
V

P

P

F

F

K
|
K

Q

E

V

I

I

I

E

P

F

L

L

L

D

D

T

Y

L

V

S

E

D

D

E

T

A

A

V

K

A

E

L

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

L

F

R

E

G

N

G

G

R

K

R

A

H

Y

G

G

H

Y

N

N

T

T

D
|
D

W

W

W

I

G

G

F

F

A

L

E

K

S

S

F

L

R

K

R

S

G

L

L

I

P

P

R

E

A

V

D

K

L

E

T

K

S

S

V

I

V

L

Q

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

G

S

A

R

A

A

T

V

A

I

F

Y

A

A

I

L

L

V

R

K

S

E

G

G

A

A

A

-

G

-

L

-

T

K

I

V

F

F

D

L

Q

W

D
x
N

E
x
R

S
x
T

R

K

S

E

L
x
K

A

A

L

I

V

-

E

-

N

K

M

L

Q

A

R

Q

H

K

F

F

P

P

N

L

A

E

F

V

I

V

K

N

A

S

G

P

A

E

D

E

L

V

S

I

G

D

A

K

M

V

A

Q

T

V

A

-

S

-

G

-

L

I

I

V

H

N

A

T

T
|
T

P
x
S

T
x
V

G

G

M

L

A

K

K

D

Y

E

P

D

G

P

L

E

P

I

V

F

P

N

A

Y

D

D

L

L

L

I

R

K

F

K

S

D

L

H

W

V

V

V

A

V

E

D

V
x
I

V

I

Y
|
Y

F

-

P

-

L

K

S

E

T

T

E

K

L

L

V

L

I

K

E

K

A

A

G

K

R

E

R

K

G

G

C

A

R

K

T

L

L

L

N

D

G

G

G

L

G

P

M
|
M

A
x
L

V

L

F

W

Q
|
Q

A

G

V

I

K

E

A

A

F

F

R

K

L

I

F

W

T

N

G

G

V

C

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ H74), G130 (= G137), G133 (= G140), A134 (= A141), N153 (≠ D163), R154 (≠ E164), T155 (≠ S165), K158 (≠ L168), T188 (= T203), S189 (≠ P204), V190 (≠ T205), I214 (≠ V229), M238 (= M255), L239 (≠ A256)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S21), S21 (≠ T23), N64 (= N71), T66 (= T73), K70 (= K77), N91 (= N98), D106 (= D113), Y216 (= Y231), L239 (≠ A256), Q242 (= Q259)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
28% identity, 87% coverage: 12:271/299 of query aligns to 10:254/269 of 2hk9A

query
sites
2hk9A

G

G

L

V

I

I

G

G

K

F

G

P

I

V

Q

K

A

H

S
|
S

L

L

T
x
S

P

P

A

V

L

F

H

Q

M

N

A

A

E

L

G

I

R

R

A

Y

Q

A

G

G

F

L

E

N

Y

A

F

V

Y

Y

D

L

L

A

F

F

D

E

L

I

D

N

G

-

V

-

G

-

S

-

S

P

E

E

P

E

L

L

T

K

N

K

L

A

L

F

A

E

E

G

A

F

E

K

G

A

R

L

G

K

L

V

G

K

G

G

L

I

N
|
N

I

V

T

T

H
x
V

P

P

F

F

K
|
K

Q

E

V

I

I

I

E

P

F

L

L

L

D

D

T

Y

L

V

S

E

D

D

E

T

A

A

V

K

A

E

L

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

L

F

R

E

G

N

G

G

R

K

R

A

H

Y

G

G

H

Y

N

N

T

T

D
|
D

W

W

W

I

G

G

F

F

A

L

E

K

S

S

F

L

R

K

R

S

G

L

L

I

P

P

R

E

A

V

D

K

L

E

T

K

S

S

V

I

V

L

Q

V

L

L

G

G

A

A

G
|
G

A
|
A

G

S

A

R

A

A

T

V

A

I

F

Y

A

A

I

L

L

V

R

K

S

E

G

G

A

A

A

-

G

-

L

-

T

K

I

V

F

F

D

L

Q

W

D
x
N

E
x
R

S
x
T

R

K

S

E

L

K

A

A

L

I

V

-

E

-

N

K

M

L

Q

A

R

Q

H

K

F

F

P

P

N

L

A

E

F

V

I

V

K

N

A

S

G

P

A

E

D

E

L

V

S

I

G

D

A

K

M

V

A

Q

T

V

A

-

S

-

G

-

L

I

I

V

H

N

A

T

T
|
T

P
x
S

T
x
V

G

G

M

L

A

K

K

D

Y

E

P

D

G

P

L

E

P

I

V

F

P

N

A

Y

D

D

L

L

L

I

R

K

F

K

S

D

L

H

W

V

V

V

A

V

E

D

V

I

Y
|
Y

F

-

P

-

L

K

S

E

T

T

E

K

L

L

V

L

I

K

E

K

A

A

G

K

R

E

R

K

G

G

C

A

R

K

T

L

L

L

N

D

G

G

G

L

G

P

M

M

A
x
L

V

L

F

W

Q
|
Q

A

G

V

I

K

E

A

A

F

F

R

K

L

I

F

W

T

N

G

G

V

C

E

E

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ H74), G132 (= G139), G133 (= G140), A134 (= A141), N153 (≠ D163), R154 (≠ E164), T155 (≠ S165), T188 (= T203), S189 (≠ P204), V190 (≠ T205)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S21), S21 (≠ T23), N64 (= N71), K70 (= K77), N91 (= N98), D106 (= D113), Y216 (= Y231), L239 (≠ A256), Q242 (= Q259)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
27% identity, 87% coverage: 12:271/299 of query aligns to 10:254/269 of O67049

query
sites
O67049

G

G

L

V

I

I

G

G

K

F

G

P

I

V

Q

K

A

H

S
|
S

L
|
L

T
x
S

P

P

A

V

L

F

H

Q

M

N

A

A

E

L

G

I

R

R

A

Y

Q

A

G

G

F

L

E

N

Y

A

F

V

Y

Y

D

L

L

A

F

F

D

E

L

I

D

N

G

-

V

-

G

-

S

-

S

P

E

E

P

E

L

L

T

K

N

K

L

A

L

F

A

E

E

G

A

F

E

K

G

A

R

L

G

K

L

V

G

K

G

G

L

I

N

N

I

V

T

T

H

V

P

P

F

F

K

K

Q

E

V

I

I

I

E

P

F

L

L

L

D

D

T

Y

L

V

S

E

D
|
D

E

T

A

A

V

K

A

E

L

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

L

F

R

E

G

N

G

G

R

K

R

A

H

Y

G

G

H

Y

N

N

T

T

D
|
D

W

W

W

I

G

G

F

F

A

L

E

K

S

S

F

L

R

K

R

S

G

L

L

I

P

P

R

E

A

V

D

K

L

E

T

K

S

S

V

I

V

L

Q

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

G

S

A

R

A

A

T

V

A

I

F

Y

A

A

I

L

L

V

R

K

S

E

G

G

A

A

A

-

G

-

L

-

T

K

I

V

F

F

D

L

Q

W

D

N

E

R

S

T

R

K

S

E

L

K

A

A

L

I

V

-

E

-

N

K

M

L

Q

A

R

Q

H

K

F

F

P

P

N

L

A

E

F

V

I

V

K

N

A

S

G

P

A

E

D

E

L

V

S

I

G

D

A

K

M

V

A

Q

T

V

A

-

S

-

G

-

L

I

I

V

H

N

A

T

T

T

P

S

T

V

G

G

M

L

A

K

K

D

Y

K

P

D

G

P

L

E

P

I

V

F

P

N

A

Y

D

D

L

L

L

I

R

K

F

K

S

D

L

H

W

V

V

V

A

V

E

D

V
x
I

V

I

Y
|
Y

F

-

P

-

L

K

S

E

T

T

E

K

L

L

V

L

I

K

E

K

A

A

G

K

R

E

R

K

G

G

C

A

R

K

T

L

L

F

N

D

G
|
G

G

L

G

P

M

M

A

L

V

L

F

W

Q
|
Q

A

G

V

I

K

E

A

A

F

F

R

K

L

I

F

W

T

N

G

G

V

C

E

E

SLS 19:21 (≠ SLT 21:23) binding shikimate
D82 (= D89) binding NADP(+)
N91 (= N98) binding shikimate
D106 (= D113) binding shikimate
GAGGA 130:134 (= GAGGA 137:141) binding NADP(+)
I214 (≠ V229) binding NADP(+)
Y216 (= Y231) binding shikimate
G235 (= G252) binding NADP(+)
Q242 (= Q259) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
27% identity, 90% coverage: 9:277/299 of query aligns to 1:257/269 of Q5HNV1

query
sites
Q5HNV1

F

M

K

K

A

F

G

A

L

V

I

I

G

G

K

N

G

P

I

I

Q

S

A

H

S
|
S

L
|
L

T
x
S

P

P

A

L

L

M

H

H

M

H

A

A

E

N

G

F

R

Q

A

S

Q

L

G

N

F

L

E

E

Y

N

F

T

Y

Y

D

E

L

A

F

I

D

N

L

V

D

P

G

-

V

-

V

V

G

N

S

Q

S

F

E

Q

P

D

L

I

T

K

N

K

L

I

A

S

E

E

A

-

E

-

G

-

R

K

G

S

L

I

G

D

G

G

L

F

N

N

I

V

T
|
T

H

I

P

P

F

H

K

K

Q

E

Q

R

V

I

I

I

E

P

F

Y

L

L

D

D

T

D

L

I

S

N

D

E

E

Q

A

A

V

K

A

S

L

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

L

V

R

K

G

D

G

G

R

K

R

W

H

I

G

G

H

Y

N

N

T

T

D
|
D

W

G

W

I

G

G

F

Y

A

V

E

N

S

G

F

L

R

K

R

Q

G

I

L

Y

P

E

R

G

A

I

D

E

L

D

T

A

S

Y

V

I

V

L

Q

I

L

L

G

G

A

A

G

G

A

A

G

S

A

K

A

G

T

I

A

A

F

N

A

E

I

L

L

Y

R

K

S

I

G

V

A

R

A

P

G

T

L

L

T

T

I

V

F

A

D

N

Q

R

D

T

E

M

S

S

R

R

S

F

L

N

A

N

L

W

V

S

E

L

N

N

M

I

Q

N

R

K

H

-

F

-

P

-

N

-

A

-

F

-

I

-

K

-

A

-

G

-

A

I

D

N

L

L

S

S

G

H

A

A

M

E

A

S

T

H

A

L

S

D

G

E

-

F

-

D

-

I

L

I

I

I

H

N

A

T

T

T

P

P

T

A

G

G

M

M

A

N

K

G

Y

N

P

T

G

D

L

S

P

V

V

I

P

S

A

L

D

N

L

R

L

L

R

A

F

S

S

H

L

T

W

L

V

V

A

S

E

D

V

I

V

V

Y
|
Y

F

N

P

P

L

Y

S

K

T

T

E

P

L

I

V

L

I

I

E

E

A

A

G

E

R

Q

R

R

G

G

C

N

R

P

T

I

L

Y

N

N

G

G

G

L

G

D

M

M

A

F

V

V

F

H

Q
|
Q

A

G

V

A

K

E

A

S

F

F

R

K

L

I

F

W

T

T

G

N

V

L

E

E

P

P

N

D

A

I

E

K

R

A

M

M

SLS 13:15 (≠ SLT 21:23) binding shikimate
T60 (= T73) binding shikimate
N85 (= N98) binding shikimate
D100 (= D113) binding shikimate
Y211 (= Y231) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q259) binding shikimate

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
31% identity, 87% coverage: 12:271/299 of query aligns to 14:277/288 of 3tnlA

query
sites
3tnlA

G

G

L

L

I

I

G

A

K

T

G

P

I

I

Q

R

A

H

S
|
S

L

L

T
x
S

P

P

A

T

L

M

H

H

M

N

A

E

E

A

G

F

R

A

A

K

Q

L

G

G

F

L

E

D

Y

Y

F

V

Y

Y

D

L

L

A

F

F

D

E

L

-

D

-

G

-

V

-

V

V

G

G

S

D

S

K

E

E

P

-

L

L

T

K

N

D

L

V

A

Q

E

G

A

F

E

R

G

A

R

M

G

N

L

L

G

R

G

G

L

W

N
|
N

I

V

T
x
S

H
x
M

P

P

F

N

K
|
K

Q

T

Q

N

V

I

I

H

E

K

F

Y

L

L

D

D

T

K

L

L

S

S

D

P

E

A

A

A

V

E

A

L

L

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

V

L

N

R

D

G

D

G

G

R

V

R

L

H

T

G

G

H

H

N

I

T

T

D
|
D

W

G

W

T

G

G

F

Y

A

M

E

R

S

A

F

L

R

K

R

E

G

A

L

G

P

H

R

D

A

I

D

I

L

G

T

K

S

K

V

M

V

T

Q

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

G

A

A

T

A

A

T

I

A

C

F

I

A

Q

I

A

L

A

R

L

S

D

G

G

A

V

A

K

G

E

L

I

T

S

I

I

F

F

D
x
N

Q
x
R

D

K

E
x
D

S

D

-
x
F

-

Y

-

A

-

N

-

A

-

E

R

K

S

T

L

V

A

E

L

K

V

I

E

N

N

S

M

K

Q

T

R

D

H

C

F

K

P

A

N

Q

A

L

F

F

-

D

I

I

K

E

A

D

G

H

A

E

D

Q

L

L

S

R

G

K

A

E

M

I

A

A

T

E

A

S

S

V

G

I

L

F

I

T

H

N

A

A

T
|
T

P

G

T
x
V

G

G

M
|
M

A

K

K

P

Y
x
F

P

E

G

G

-

E

-

T

-

L

L

L

P

P

V

-

P

S

A

A

D

D

L

M

L

L

R

R

F

P

S

E

L

L

W

I

V

V

A

S

E

D

V
|
V

V

V

Y
|
Y

F

K

P

P

L

T

S

K

T

T

E

R

L

L

V

L

I

E

E

I

A

A

G

E

R

E

R

Q

G

G

C

C

R

Q

T

T

L

L

N

N

G

G

G

L

G

G

M
|
M

A
x
M

V

L

F

W

Q
|
Q

A

G

V

A

K

K

A

A

F

F

R

E

L

I

F

W

T

T

G

H

V

K

E

E

binding nicotinamide-adenine-dinucleotide: M71 (≠ H74), G134 (= G137), A135 (= A138), G136 (= G139), G137 (= G140), A138 (= A141), N158 (≠ D161), R159 (≠ Q162), D161 (≠ E164), F163 (vs. gap), T207 (= T203), V209 (≠ T205), M211 (= M207), F214 (≠ Y210), V235 (= V229), Y237 (= Y231), M261 (= M255), M262 (≠ A256)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S21), S25 (≠ T23), N68 (= N71), S70 (≠ T73), K74 (= K77), N95 (= N98), D110 (= D113), Q265 (= Q259)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
31% identity, 87% coverage: 12:271/299 of query aligns to 17:280/291 of 3tozA

query
sites
3tozA

G

G

L

L

I

I

G

A

K

T

G

P

I

I

Q

R

A

H

S

S

L

L

T

S

P

P

A

T

L

M

H

H

M

N

A

E

E

A

G

F

R

A

A

K

Q

L

G

G

F

L

E

D

Y

Y

F

V

Y

Y

D

L

L

A

F

F

D

E

L

-

D

-

G

-

V

-

V

V

G

G

S

D

S

K

E

E

P

-

L

L

T

K

N

D

L

V

A

Q

E

G

A

F

E

R

G

A

R

M

G

N

L

L

G

R

G

G

L

W

N

N

I

V

T

S

H

M

P

P

F

N

K

K

Q

T

Q

N

V

I

I

H

E

K

F

Y

L

L

D

D

T

K

L

L

S

S

D

P

E

A

A

A

V

E

A

L

L

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

L

N

R

D

G

D

G

G

R

V

R

L

H

T

G

G

H

H

N

I

T

T

D

D

W

G

W

T

G

G

F

Y

A

M

E

R

S

A

F

L

R

K

R

E

G

A

L

G

P

H

R

D

A

I

D

I

L

G

T

K

S

K

V

M

V

T

Q

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

G

A

A

T

A

A

T

I

A

C

F

I

A

Q

I

A

L

A

R

L

S

D

G

G

A

V

A

K

G

E

L

I

T

S

I

I

F

F

D
x
N

Q
x
R

D

K

E
x
D

S

D

-
x
F

-

Y

-

A

-

N

-

A

-

E

R

K

S

T

L

V

A

E

L

K

V

I

E

N

N

S

M

K

Q

T

R

D

H

C

F

K

P

A

N

Q

A

L

F

F

-

D

I

I

K

E

A

D

G

H

A

E

D

Q

L

L

S

R

G

K

A

E

M

I

A

A

T

E

A

S

S

V

G

I

L

F

I

T

H

N

A

A

T
|
T

P
x
G

T
x
V

G

G

M
|
M

A

K

K

P

Y
x
F

P

E

G

G

-

E

-

T

-

L

L

L

P

P

V

-

P

S

A

A

D

D

L

M

L

L

R

R

F

P

S

E

L

L

W

I

V

V

A

S

E

D

V
|
V

V

V

Y
|
Y

F

K

P

P

L

T

S

K

T

T

E

R

L

L

V

L

I

E

E

I

A

A

G

E

R

E

R

Q

G

G

C

C

R

Q

T

T

L

L

N

N

G
|
G

G

L

G

G

M
|
M

A
x
M

V

L

F

W

Q

Q

A

G

V

A

K

K

A

A

F

F

R

E

L

I

F

W

T

T

G

H

V

K

E

E

binding nicotinamide-adenine-dinucleotide: G137 (= G137), A138 (= A138), G139 (= G139), G140 (= G140), A141 (= A141), N161 (≠ D161), R162 (≠ Q162), D164 (≠ E164), F166 (vs. gap), T210 (= T203), G211 (≠ P204), V212 (≠ T205), M214 (= M207), F217 (≠ Y210), V238 (= V229), Y240 (= Y231), G261 (= G252), M264 (= M255), M265 (≠ A256)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
31% identity, 87% coverage: 12:271/299 of query aligns to 17:280/291 of Q8Y9N5

query
sites
Q8Y9N5

G

G

L

L

I

I

G

A

K

T

G

P

I

I

Q

R

A

H

S
|
S

L
|
L

T
x
S

P

P

A

T

L

M

H

H

M

N

A

E

E

A

G

F

R

A

A

K

Q

L

G

G

F

L

E

D

Y

Y

F

V

Y

Y

D

L

L

A

F

F

D

E

L

-

D

-

G

-

V

-

V

V

G

G

S

D

S

K

E

E

P

-

L

L

T

K

N

D

L

V

A

Q

E

G

A

F

E

R

G

A

R

M

G

N

L

L

G

R

G

G

L

W

N

N

I

V

T

S

H

M

P

P

F

N

K

K

Q

T

Q

N

V

I

I

H

E

K

F

Y

L

L

D

D

T

K

L

L

S

S

D

P

E

A

A

A

V

E

A

L

L

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

L

N

R

D

G

D

G

G

R

V

R

L

H

T

G

G

H

H

N

I

T

T

D

D

W

G

W

T

G

G

F

Y

A

M

E

R

S

A

F

L

R

K

R

E

G

A

L

G

P

H

R

D

A

I

D

I

L

G

T

K

S

K

V

M

V

T

Q

I

L

C

G

G

A

A

G

G

A

A

G

A

A

T

A

A

T

I

A

C

F

I

A

Q

I

A

L

A

R

L

S

D

G

G

A

V

A

K

G

E

L

I

T

S

I

I

F

F

D
x
N

Q
x
R

D
x
K

E
x
D

S

D

-

F

-

Y

-

A

-

N

-

A

-

E

R

K

S

T

L

V

A

E

L

K

V

I

E

N

N

S

M

K

Q

T

R

D

H

C

F

K

P

A

N

Q

A

L

F

F

-

D

I

I

K

E

A

D

G

H

A

E

D

Q

L

L

S

R

G

K

A

E

M

I

A

A

T

E

A

S

S

V

G

I

L

F

I

T

H

N

A

A

T

T

P

G

T

V

G

G

M
|
M

A

K

K

P

Y

F

P

E

G

G

-

E

-

T

-

L

L

L

P

P

V

-

P

S

A

A

D

D

L

M

L

L

R

R

F

P

S

E

L

L

W

I

V

V

A

S

E

D

V

V

Y

Y

F

K

P

P

L

T

S

K

T

T

E

R

L

L

V

L

I

E

E

I

A

A

G

E

R

E

R

Q

G

G

C

C

R

Q

T

T

L

L

N

N

G

G

G

L

G

G

M

M

A

M

V

L

F

W

Q

Q

A

G

V

A

K

K

A

A

F

F

R

E

L

I

F

W

T

T

G

H

V

K

E

E

SLS 26:28 (≠ SLT 21:23) binding shikimate
NRKD 161:164 (≠ DQDE 161:164) binding NAD(+)
M214 (= M207) binding NADP(+)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
26% identity, 90% coverage: 9:277/299 of query aligns to 1:248/258 of 3dooA

query
sites
3dooA

F

M

K

K

A

F

G

A

L

V

I

I

G

G

K

N

G

P

I

I

Q

S

A

H

S
|
S

L

L

T
x
S

P

P

A

L

L

M

H

H

M

H

A

A

E

N

G

F

R

Q

A

S

Q

L

G

N

F

L

E

E

Y

N

F

T

Y

Y

D

E

L

A

F

I

D

N

L

V

D

P

G

-

V

-

V

V

G

N

S

Q

S

F

E

Q

P

D

L

I

T

K

N

K

L

I

A

S

E

E

A

-

E

-

G

-

R

K

G

S

L

I

G

D

G

G

L

F

N
|
N

I

V

T
|
T

H

I

P

P

F

H

K
|
K

Q

E

Q

R

V

I

I

I

E

P

F

Y

L

L

D

D

T

D

L

I

S

N

D

E

E

Q

A

A

V

K

A

S

L

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

L

V

R

K

G

D

G

G

R

K

R

W

H

I

G

G

H

Y

N

N

T

T

D
|
D

W

G

W

I

G

G

F

Y

A

V

E

N

S

G

F

L

R

K

R

Q

G

I

L

Y

P

E

R

G

A

I

D

E

L

D

T

A

S

Y

V

I

V

L

Q

I

L

L

G

G

A

A

G

G

A

A

G

S

A

K

A

G

T

I

A

A

F

N

A

E

I

L

L

Y

R

K

S

I

G

V

A

R

A

P

G

T

L

L

T

T

I

V

F

A

D

N

Q

R

D

T

E

M

S

S

R

R

S

F

L

N

A

N

L

W

V

S

E

L

N

N

M

I

Q

N

R

K

H

-

F

-

P

-

N

-

A

-

F

-

I

-

K

-

A

-

G

-

A

I

D

N

L

L

S

S

G

H

A

A

M

E

A

S

T

H

A

L

S

D

G

E

-

F

-

D

-

I

L

I

I

I

H

N

A

T

T

T

P

P

T

V

G

-

M

-

A

-

K

-

Y

-

P

-

G

-

L

-

P

-

V

I

P

S

A

L

D

N

L

R

L

L

R

A

F

S

S

H

L

T

W

L

V

V

A

S

E

D

V

I

V

V

Y

Y

F

N

P

P

L

Y

S

K

T

T

E

P

L

I

V

L

I

I

E

E

A

A

G

E

R

Q

R

R

G

G

C

N

R

P

T

I

L

Y

N

N

G

G

G

L

G

D

M

M

A
x
F

V

V

F

H

Q
|
Q

A

G

V

A

K

E

A

S

F

F

R

K

L

I

F

W

T

T

G

N

V

L

E

E

P

P

N

D

A

I

E

K

R

A

M

M

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S21), S15 (≠ T23), N58 (= N71), T60 (= T73), K64 (= K77), N85 (= N98), D100 (= D113), F227 (≠ A256), Q230 (= Q259)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
31% identity, 86% coverage: 12:269/299 of query aligns to 11:272/288 of 1npdB

query
sites
1npdB

G

G

L

L

I

M

G

A

K

Y

G

P

I

I

Q

R

A

H

S

S

L

L

T

S

P

P

A

E

L

M

H

Q

M

N

A

K

E

A

G

L

R

E

A

K

Q

A

G

G

F

L

E

P

Y

F

F

T

Y

Y

D

M

L

A

F

F

-

E

-

V

D

D

L

N

D

D

G

S

V

F

V

P

G

G

S

A

S

I

E

E

P

G

L

L

T

K

N

A

L

L

L

-

A

-

E

-

A

-

E

K

G

M

R

R

G

G

L

T

G

G

G

-

L

-

N

-

I

V

T

S

H

M

P

P

F

N

K

K

Q

Q

Q

L

V

A

I

C

E

E

F

Y

L

V

D

D

T

E

L

L

S

T

D

P

E

A

A

A

V

K

A

L

L

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

L

N

R

D

G

D

G

G

R

Y

R

L

H

R

G

G

H

Y

N

N

T

T

D

D

W

G

W

T

G

G

F

H

A

I

E

R

S

A

F

I

R

K

R

E

G

S

L

G

P

F

R

D

A

I

D

K

L

G

T

K

S

T

V

M

V

V

Q

L

L

L

G

G

A
|
A

G
|
G

A
|
A

G

S

A

T

A

A

T

I

A

G

F

A

A

Q

I

G

L

A

R

I

S

E

G

G

A

L

A

K

G

E

L

I

T

K

I

L

F

F

D
x
N

Q
x
R

-

R

D
|
D

E

E

-
x
F

-

F

S

D

R

K

S

A

L

L

A

A

L

F

V

A

E

Q

N

R

M

V

Q

N

R

E

H

N

F

-

P

-

N

T

A

D

F

C

I

V

K

V

A

T

G

V

A

T

D

D

L

L

S

A

G

D

-

Q

-

A

-

F

-

A

-

E

A

A

M

L

A

A

T

S

A

A

S

D

G

I

L

L

I

T

H

N

A

G

T
|
T

P
x
K

T
x
V

G

G

M
|
M

A

K

K

P

Y

L

P

E

G

N

L

E

P

S

V

L

P

V

A

N

D

D

-

I

-

S

L

L

R

H

F

P

S

G

L

L

W

L

V

V

A

T

E

E

V
x
C

V

V

Y

Y

F

N

P

P

L

H

S

M

T

T

E

K

L

L

V

L

I

Q

E

Q

A

A

G

Q

R

Q

R

A

G

G

C

C

R

K

T

T

L

I

N

D

G

G

G

Y

G

G

M
|
M

A
x
L

V

L

F

W

Q

Q

A

G

V

A

K

E

A

Q

F

F

R

T

L

L

F

W

T

T

G

G

binding nicotinamide-adenine-dinucleotide: A132 (= A138), G133 (= G139), G134 (= G140), A135 (= A141), N155 (≠ D161), R156 (≠ Q162), D158 (= D163), F160 (vs. gap), T204 (= T203), K205 (≠ P204), V206 (≠ T205), M208 (= M207), C232 (≠ V229), M258 (= M255), L259 (≠ A256)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
31% identity, 86% coverage: 12:269/299 of query aligns to 11:272/288 of P0A6D5

query
sites
P0A6D5

G

G

L

L

I

M

G

A

K

Y

G

P

I

I

Q

R

A

H

S

S

L

L

T
x
S

P

P

A

E

L

M

H

Q

M

N

A

K

E

A

G

L

R

E

A

K

Q

A

G

G

F

L

E

P

Y

F

F

T

Y
|
Y

D

M

L

A

F

F

-

E

-

V

D

D

L

N

D

D

G

S

V

F

V

P

G

G

S

A

S

I

E

E

P

G

L

L

T

K

N

A

L

L

L

-

A

-

E

-

A

-

E

K

G

M

R

R

G

G

L

T

G

G

G

-

L

-

N

-

I

V

T
x
S

H

M

P

P

F

N

K
|
K

Q

Q

Q

L

V

A

I

C

E

E

F

Y

L

V

D

D

T

E

L

L

S

T

D

P

E

A

A

A

V

K

A

L

L

V

G

G

A

A

V

I

N
|
N

T

T

I

I

V

V

L

N

R

D

G

D

G

G

R

Y

R

L

H

R

G

G

H

Y

N

N

T
|
T

D
|
D

W

G

W

T

G

G

F

H

A

I

E

R

S

A

F

I

R

K

R

E

G

S

L

G

P

F

R

D

A

I

D

K

L

G

T

K

S

T

V

M

V

V

Q

L

L

L

G

G

A
|
A

G
|
G

A
|
A

G

S

A

T

A

A

T

I

A

G

F

A

A

Q

I

G

L

A

R

I

S

E

G

G

A

L

A

K

G

E

L

I

T

K

I

L

F

F

D
x
N

Q
x
R

-
x
R

D
|
D

E

E

-

F

S

D

R

K

S

A

L

L

A

A

L

F

V

A

E

Q

N

R

M

V

Q

N

R

E

H

N

F

-

P

-

N

T

A

D

F

C

I

V

K

V

A

T

G

V

A

T

D

D

L

L

S

A

G

D

-

Q

-

A

-

F

-

A

-

E

A

A

M

L

A

A

T

S

A

A

S

D

G

I

L

L

I

T

H

N

A

G

T

T

P
x
K

T

V

G

G

M

M

A

K

K

P

Y

L

P

E

G

N

L

E

P

S

V

L

P

V

A

N

D

D

-

I

-

S

L

L

R

H

F

P

S

G

L

L

W

L

V

V

A

T

E

E

V
x
C

V
|
V

Y
|
Y

F
x
N

P

P

L

H

S

M

T

T

E

K

L

L

V

L

I

Q

E

Q

A

A

G

Q

R

Q

R

A

G

G

C

C

R

K

T

T

L

I

N

D

G
|
G

G

Y

G

G

M

M

A

L

V

L

F

W

Q
|
Q

A

G

V

A

K

E

A

Q

F

F

R

T

L

L

F

W

T

T

G

G

S22 (≠ T23) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y40) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T73) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K77) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N98) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T112) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D113) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 138:141) binding NAD(+)
NRRD 155:158 (≠ DQ-D 161:163) binding NAD(+)
K205 (≠ P204) binding NAD(+)
CVYN 232:235 (≠ VVYF 229:232) binding NAD(+)
G255 (= G252) binding NAD(+)
Q262 (= Q259) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
31% identity, 86% coverage: 12:269/299 of query aligns to 5:266/280 of 1o9bA

query
sites
1o9bA

G

G

L

L

I

M

G

A

K

Y

G

P

I

I

Q

R

A

H

S

S

L

L

T

S

P

P

A

E

L

M

H

Q

M

N

A

K

E

A

G

L

R

E

A

K

Q

A

G

G

F

L

E

P

Y

F

F

T

Y

Y

D

M

L

A

F

F

-

E

-

V

D

D

L

N

D

D

G

S

V

F

V

P

G

G

S

A

S

I

E

E

P

G

L

L

T

K

N

A

L

L

L

-

A

-

E

-

A

-

E

K

G

M

R

R

G

G

L

T

G

G

G

-

L

-

N

-

I

V

T

S

H

M

P

P

F

N

K

K

Q

Q

Q

L

V

A

I

C

E

E

F

Y

L

V

D

D

T

E

L

L

S

T

D

P

E

A

A

A

V

K

A

L

L

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

L

N

R

D

G

D

G

G

R

Y

R

L

H

R

G

G

H

Y

N

N

T

T

D

D

W

G

W

T

G

G

F

H

A

I

E

R

S

A

F

I

R

K

R

E

G

S

L

G

P

F

R

D

A

I

D

K

L

G

T

K

S

T

V

M

V

V

Q

L

L

L

G

G

A
|
A

G
|
G

A
|
A

G

S

A

T

A

A

T

I

A

G

F

A

A

Q

I

G

L

A

R

I

S

E

G

G

A

L

A

K

G

E

L

I

T

K

I

L

F

F

D

N

Q
x
R

-

R

D

D

E

E

-
x
F

-

F

S

D

R

K

S

A

L

L

A

A

L

F

V

A

E

Q

N

R

M

V

Q

N

R

E

H

N

F

-

P

-

N

T

A

D

F

C

I

V

K

V

A

T

G

V

A

T

D

D

L

L

S

A

G

D

-

Q

-

A

-

F

-

A

-

E

A

A

M

L

A

A

T

S

A

A

S

D

G

I

L

L

I

T

H

N

A

G

T

T

P
x
K

T
x
V

G

G

M
|
M

A

K

K

P

Y

L

P

E

G

N

L

E

P

S

V

L

P

V

A

N

D

D

-

I

-

S

L

L

R

H

F

P

S

G

L

L

W

L

V

V

A

T

E

E

V
x
C

V

V

Y
|
Y

F

N

P

P

L

H

S

M

T

T

E

K

L

L

V

L

I

Q

E

Q

A

A

G

Q

R

Q

R

A

G

G

C

C

R

K

T

T

L

I

N

D

G

G

G

Y

G

G

M
|
M

A
x
L

V

L

F

W

Q

Q

A

G

V

A

K

E

A

Q

F

F

R

T

L

L

F

W

T

T

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A138), G127 (= G139), G128 (= G140), A129 (= A141), R150 (≠ Q162), F154 (vs. gap), K199 (≠ P204), V200 (≠ T205), M202 (= M207), C226 (≠ V229), Y228 (= Y231), M252 (= M255), L253 (≠ A256)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
30% identity, 90% coverage: 9:277/299 of query aligns to 2:253/262 of 2cy0A

query
sites
2cy0A

F

L

K

R

A

F

G

A

L

V

I

L

G

G

K

H

G

P

I

V

Q

A

A

H

S

S

L

L

T

S

P

P

A

A

L

M

H

H

M

A

A

F

E

A

G

L

R

E

A

S

Q

L

G

G

F

L

E

E

Y

G

F

S

Y

Y

D

E

L

A

F

W

D

D

L

-

D

-

G

-

V

-

G

T

S

P

S

L

E

E

P

A

L

L

T

P

N

G

L

R

L

L

A

K

E

E

A

V

E

R

G

-

R

R

G

A

L

F

G

R

G

G

L

V

N

N

I

L

T

T

H

L

P

P

F

L

K
|
K

Q

E

Q

A

V

A

I

L

E

A

F

H

L

L

D

D

T

W

L

V

S

S

D

P

E

E

A

A

V

Q

A

R

L

I

G

G

A

A

V

V

N

N

T

T

I

V

V

L

L

Q

R

V

G

E

G

G

R

R

R

L

H

F

G

G

H

F

N

N

T

T

D
|
D

W

A

W

P

G

G

F

F

A

L

E

E

S

A

F

L

R

K

R

A

-

G

G

G

L

I

P

P

R

-

A

-

D

-

L

L

T

K

S

G

V

P

V

A

Q

L

L

V

G

L

A
x
G

G

A

G

G

A
x
G

G
x
A

A

G

A

R

T

A

A

V

F

A

A

F

I

A

L

L

R

R

S

E

G

A

A

G

A

L

G

E

L

V

T

W

I

V

F

W

D
x
N

Q
x
R

D
x
T

E

P

S

Q

R
|
R

S

A

L

L

A

A

L

L

V

A

E

E

N

E

M

-

Q

-

R

-

H

-

F

-

P

-

N

-

A

-

F

F

I

G

K

L

A

R

G

A

A

V

D

P

L

L

S

E

G

K

A

A

M

R

A

-

T

E

A

A

S

R

G

L

L

L

I

V

H

N

A

A

T
|
T

P
x
R

T
x
V

G

G

M

L

A

E

K

D

Y

P

P

S

G

A

L

S

P

P

V

L

P

P

A

A

D

E

L

L

L

F

R

P

F

E

S

E

L

G

W

A

V

A

A

V

E

D

V
x
L

V

V

Y

Y

F

R

P

P

L

L

S

W

T

T

E

R

L

F

V

L

I

R

E

E

A

A

G

K

R

A

R

K

G

G

C

L

R

K

T

V

L

Q

N

T

G

G

G

L

G

P

M

M

A
x
L

V

A

F

W

Q

Q

A

G

V

A

K

L

A

A

F

F

R

R

L

L

F

W

T

T

G

G

V

L

E

L

P

P

N

D

A

P

E

S

R

G

M

M

active site: K64 (= K77), D100 (= D113)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (≠ A138), G126 (≠ A141), A127 (≠ G142), N146 (≠ D161), R147 (≠ Q162), T148 (≠ D163), R151 (= R166), T179 (= T203), R180 (≠ P204), V181 (≠ T205), L205 (≠ V229), L232 (≠ A256)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
30% identity, 90% coverage: 9:277/299 of query aligns to 2:253/263 of 2ev9B

query
sites
2ev9B

F

L

K

R

A

F

G

A

L

V

I

L

G

G

K

H

G

P

I

V

Q

A

A

H

S
|
S

L

L

T
x
S

P

P

A

A

L

M

H

H

M

A

A

F

E

A

G

L

R

E

A

S

Q

L

G

G

F

L

E

E

Y

G

F

S

Y

Y

D

E

L

A

F

W

D

D

L

-

D

-

G

-

V

-

G

T

S

P

S

L

E

E

P

A

L

L

T

P

N

G

L

R

L

L

A

K

E

E

A

V

E

R

G

-

R

R

G

A

L

F

G

R

G

G

L

V

N
|
N

I

L

T
|
T

H

L

P

P

F

L

K
|
K

Q

E

Q

A

V

A

I

L

E

A

F

H

L

L

D

D

T

W

L

V

S

S

D

P

E

E

A

A

V

Q

A

R

L

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

L

Q

R

V

G

E

G

G

R

R

R

L

H

F

G

G

H

F

N

N

T

T

D
|
D

W

A

W

P

G

G

F

F

A

L

E

E

S

A

F

L

R

K

R

A

-

G

G

G

L

I

P

P

R

-

A

-

D

-

L

L

T

K

S

G

V

P

V

A

Q

L

L

V

G

L

A

G

G

A

G

G

A

G

G

A

A

G

A

R

T

A

A

V

F

A

A

F

I

A

L

L

R

R

S

E

G

A

A

G

A

L

G

E

L

V

T

W

I

V

F

W

D

N

Q

R

D

T

E

P

S

Q

R

R

S

A

L

L

A

A

L

L

V

A

E

E

N

E

M

-

Q

-

R

-

H

-

F

-

P

-

N

-

A

-

F

F

I

G

K

L

A

R

G

A

A

V

D

P

L

L

S

E

G

K

A

A

M

R

A

-

T

E

A

A

S

R

G

L

L

L

I

V

H

N

A

A

T

T

P

R

T

V

G

G

M

L

A

E

K

D

Y

P

P

S

G

A

L

S

P

P

V

L

P

P

A

A

D

E

L

L

L

F

R

P

F

E

S

E

L

G

W

A

V

A

A

V

E

D

V

L

V

V

Y

Y

F

R

P

P

L

L

S

W

T

T

E

R

L

F

V

L

I

R

E

E

A

A

G

K

R

A

R

K

G

G

C

L

R

K

T

V

L

Q

N

T

G

G

G

L

G

P

M

M

A

L

V

A

F

W

Q
|
Q

A

G

V

A

K

L

A

A

F

F

R

R

L

L

F

W

T

T

G

G

V

L

E

L

P

P

N

D

A

P

E

S

R

G

M

M

active site: K64 (= K77), D100 (= D113)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S21), S16 (≠ T23), N58 (= N71), T60 (= T73), K64 (= K77), N85 (= N98), D100 (= D113), Q235 (= Q259)

Query Sequence

>WP_011970530.1 NCBI__GCF_000017145.1:WP_011970530.1
MKNVGIASFKAGLIGKGIQASLTPALHMAEGRAQGFEYFYDLFDLDGVVGSSEPLTNLLA
EAEGRGLGGLNITHPFKQQVIEFLDTLSDEAVALGAVNTIVLRGGRRHGHNTDWWGFAES
FRRGLPRADLTSVVQLGAGGAGAATAFAILRSGAAGLTIFDQDESRSLALVENMQRHFPN
AFIKAGADLSGAMATASGLIHATPTGMAKYPGLPVPADLLRFSLWVAEVVYFPLSTELVI
EAGRRGCRTLNGGGMAVFQAVKAFRLFTGVEPNAERMLKHFEEMTRTPGRSAVAPGDGR

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory